S-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] carbamothioate

Systemtic Name: S-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] carbamothioate Openeye Name: S-[2-(3-nitroanilino)-2-oxo-ethyl] carbamothioate CAS Name: carbamothioic acid S-[2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(3-nitroanilino)-2-oxoethyl] carbamothioate Traditional Name: thiocarbamic acid S-[2-keto-2-(3-nitroanilino)ethyl] ester Formula: C9H9N3O4S MolecularWeight: 255.25046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=O)N

InChI

InChI=1S/C9H9N3O4S/c10-9(14)17-5-8(13)11-6-2-1-3-7(4-6)12(15)16/h1-4H,5H2,(H2,10,14)(H,11,13)